Molecule

ID:13896

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₃
Molecular Mass
234.25116
Exact Mass
234.10044232
Charge
0
InChI
InChI=1S/C12H14N2O3/c1-3-17-12(15)11-10(13)8-6-7(16-2)4-5-9(8)14-11/h4-6,14H,3,13H2,1-2H3
InChIKey
DEKRXQYFEJCJEZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c2c(c1N)cc(cc2)OC
Isomeric Smiles
c12c([nH]c(c1N)C(=O)OCC)ccc(c2)OC
Calculated Properties
JChem
Acid pKa
14.485203
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0156965
LogD (pH = 7.4)
2.0156965
Log P
2.0156965
Molar Refractivity
64.9595
Polarizability
25.456078
Polar Surface Area
77.34
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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